[gmx-users] problem in converting coarse grained structure to fine strcture

[xiao]

Dear Groetnis,
Thank you very much for your  nice suggestion.
BW
Fugui




At 2013-03-26 17:34:08,"Djurre de Jong-Bruinink" <djurredejong at yahoo.com> wrote:
>>I used the command g_fg2cg to convert a coarse grained structure into corresponding fine strcture, and i found that the water molecues can be transformed correctly, but there is a big mess in the protien , and i could not get correct protein strcture, can anyone give me some suggestion?
>
>
>g_fg2cg only generates an atomistic input structure for the actual reverse transformation run. The atoms are placed at random position within the CG-beads and thus the protein is supposed to be "a big mess" after this step. 
>
>Please read "http://md.chem.rug.nl/cgmartini/index.php/tutorial/reverse-transformation" for a more extensive explanation.
>
>
>Groetnis,
>Djurre
>
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